Reaction Routes of
H8C4O4
Explored by
_
G_ R_ R_ M

at the Level of B3LYP/CC-PVTZ

© 2009 Koichi OHNO


Explored: EQ59 TS152
[ EQ0 ]
S4 ENERGY= 0.0 kJ/mol ( -458.2361914 Hartree) Energy+ZPE= 0.0 kJ/mol ZPE= 0.1164931 CONNECTIONS: o TS0 ( 19.1) o EQ0 o TS1 ( 34.2) o EQ0 o TS2 ( 23.1) o EQ2 o TS3 ( 23.2) o EQ2 o TS4 ( 21.7) o EQ4 o TS5 ( 23.5) o EQ6 o TS6 ( 23.1) o EQ7 o TS7 ( 24.8) o EQ11 o TS8 ( 24.9) o EQ11 o TS9 ( 27.2) o EQ13 o TS10 ( 28.5) o EQ13 o TS11 ( 33.8) o EQ13 o TS12 ( 28.9) o EQ15 o TS13 ( 31.4) o EQ16 o TS14 ( 26.6) o EQ17 o TS15 ( 27.6) o EQ17 o TS16 ( 25.8) o EQ19 o TS17 ( 27.5) o EQ23 o TS18 ( 28.4) o EQ23 o TS19 ( 27.9) o EQ29 o TS20 ( 28.1) o EQ31 o TS21 ( 33.8) o EQ32 o TS22 ( 27.9) o EQ35 o TS23 ( 30.4) o EQ37 o TS24 ( 29.8) o EQ38 o TS25 ( 32.8) o EQ43 o TS26 ( 33.5) o EQ43 o TS27 ( 33.7) o EQ43 o TS28 ( 35.0) o EQ46 o TS29 ( 35.0) o xx
[ EQ1 ]
C1 ENERGY= 12.8 kJ/mol ( -458.2313295 Hartree) Energy+ZPE= 6.8 kJ/mol ZPE= 0.1141941 CONNECTIONS: o TS30 ( 20.3) o EQ1 o TS31 ( 21.0) o EQ1 o TS32 ( 21.3) o EQ1 o TS33 ( 29.4) o EQ1 o TS34 ( 18.6) o EQ3 o TS35 ( 20.1) o EQ3 o TS36 ( 20.2) o EQ3 o TS37 ( 20.8) o EQ3 o TS38 ( 28.2) o EQ3 o TS39 ( 22.2) o EQ5 o TS40 ( 26.5) o EQ10 o TS41 ( 27.1) o EQ13 o TS42 ( 28.6) o EQ13 o TS43 ( 25.8) o EQ16 o TS44 ( 25.9) o EQ18 o TS45 ( 35.0) o EQ20 o TS46 ( 25.8) o EQ22 o TS47 ( 26.0) o EQ22 o TS48 ( 26.7) o EQ26 o TS49 ( 27.6) o EQ28 o TS50 ( 30.8) o EQ33 o TS51 ( 28.6) o EQ35 o TS52 ( 34.2) o EQ36 o TS53 ( 30.7) o EQ37 o TS54 ( 36.2) o EQ41 o TS55 ( 36.9) o EQ53
[ EQ2 ]
Ci ENERGY= 16.0 kJ/mol ( -458.2300901 Hartree) Energy+ZPE= 12.0 kJ/mol ZPE= 0.1149612 CONNECTIONS: o TS2 ( 23.1) o EQ0 o TS3 ( 23.2) o EQ0 o TS56 ( 30.5) o EQ4 o TS57 ( 22.8) o EQ6 o TS58 ( 22.4) o EQ7 o TS59 ( 25.6) o EQ12 o TS60 ( 25.8) o EQ12 o TS61 ( 26.6) o EQ23
[ EQ3 ]
C1 ENERGY= 18.4 kJ/mol ( -458.2291924 Hartree) Energy+ZPE= 9.2 kJ/mol ZPE= 0.1129704 CONNECTIONS: o TS34 ( 18.6) o EQ1 o TS35 ( 20.1) o EQ1 o TS36 ( 20.2) o EQ1 o TS37 ( 20.8) o EQ1 o TS38 ( 28.2) o EQ1 o TS62 ( 22.9) o EQ5 o TS63 ( 24.1) o EQ6 o TS64 ( 22.7) o EQ8 o TS65 ( 23.9) o EQ8 o TS66 ( 26.6) o EQ12 o TS67 ( 32.4) o EQ16 o TS68 ( 26.3) o EQ20 o TS69 ( 26.4) o EQ25 o TS148 ( 29.6) o xx
[ EQ4 ]
C1 ENERGY= 21.6 kJ/mol ( -458.2279683 Hartree) Energy+ZPE= 14.0 kJ/mol ZPE= 0.1136122 CONNECTIONS: o TS4 ( 21.7) o EQ0 o TS56 ( 30.5) o EQ2 o TS70 ( 24.7) o EQ5 o TS71 ( 23.1) o EQ6 o TS72 ( 24.0) o EQ6 o TS73 ( 25.5) o EQ9 o TS74 ( 27.1) o EQ23 o TS75 ( 27.4) o EQ24 o TS76 ( 29.2) o EQ32 o TS77 ( 36.5) o EQ54
[ EQ5 ]
C1 ENERGY= 22.1 kJ/mol ( -458.2277628 Hartree) Energy+ZPE= 13.3 kJ/mol ZPE= 0.1131511 CONNECTIONS: o TS39 ( 22.2) o EQ1 o TS62 ( 22.9) o EQ3 o TS70 ( 24.7) o EQ4 o TS78 ( 26.4) o EQ24
[ EQ6 ]
C1 ENERGY= 22.2 kJ/mol ( -458.2277457 Hartree) Energy+ZPE= 14.0 kJ/mol ZPE= 0.1133727 CONNECTIONS: o TS5 ( 23.5) o EQ0 o TS57 ( 22.8) o EQ2 o TS63 ( 24.1) o EQ3 o TS71 ( 23.1) o EQ4 o TS72 ( 24.0) o EQ4 o TS79 ( 24.8) o EQ8
[ EQ7 ]
C1 ENERGY= 22.3 kJ/mol ( -458.2276921 Hartree) Energy+ZPE= 14.3 kJ/mol ZPE= 0.1134466 CONNECTIONS: o TS6 ( 23.1) o EQ0 o TS58 ( 22.4) o EQ2 o TS80 ( 27.7) o EQ12 o TS81 ( 36.7) o EQ54
[ EQ8 ]
C1 ENERGY= 22.5 kJ/mol ( -458.2276150 Hartree) Energy+ZPE= 10.0 kJ/mol ZPE= 0.1117286 CONNECTIONS: o TS64 ( 22.7) o EQ3 o TS65 ( 23.9) o EQ3 o TS79 ( 24.8) o EQ6
[ EQ9 ]
Cs ENERGY= 23.5 kJ/mol ( -458.2272322 Hartree) Energy+ZPE= 16.2 kJ/mol ZPE= 0.1136942 CONNECTIONS: o TS73 ( 25.5) o EQ4 o TS82 ( 38.8) o EQ9 o TS83 ( 28.6) o EQ15 o TS84 ( 25.9) o EQ22 o TS85 ( 37.2) o EQ36 o TS86 ( 35.8) o EQ51
[ EQ10 ]
C1 ENERGY= 24.4 kJ/mol ( -458.2268862 Hartree) Energy+ZPE= 16.6 kJ/mol ZPE= 0.1135236 CONNECTIONS: o TS40 ( 26.5) o EQ1 o TS87 ( 29.4) o EQ10 o TS88 ( 34.6) o EQ10 o TS89 ( 26.7) o EQ17 o TS90 ( 28.1) o EQ28 o TS91 ( 33.1) o EQ39 o TS92 ( 36.2) o EQ53 o TS93 ( 36.7) o EQ53
[ EQ11 ]
C1 ENERGY= 24.7 kJ/mol ( -458.2267689 Hartree) Energy+ZPE= 16.2 kJ/mol ZPE= 0.1132725 CONNECTIONS: o TS7 ( 24.8) o EQ0 o TS8 ( 24.9) o EQ0 o TS94 ( 25.0) o EQ11
[ EQ12 ]
C1 ENERGY= 25.0 kJ/mol ( -458.2266658 Hartree) Energy+ZPE= 17.5 kJ/mol ZPE= 0.1136424 CONNECTIONS: o TS59 ( 25.6) o EQ2 o TS60 ( 25.8) o EQ2 o TS66 ( 26.6) o EQ3 o TS80 ( 27.7) o EQ7
[ EQ13 ]
C1 ENERGY= 25.2 kJ/mol ( -458.2265948 Hartree) Energy+ZPE= 17.3 kJ/mol ZPE= 0.1134798 CONNECTIONS: o TS9 ( 27.2) o EQ0 o TS10 ( 28.5) o EQ0 o TS11 ( 33.8) o EQ0 o TS41 ( 27.1) o EQ1 o TS42 ( 28.6) o EQ1 o TS95 ( 26.8) o EQ15 o TS96 ( 27.8) o EQ27 o TS97 ( 33.9) o EQ44
[ EQ14 ]
C1 ENERGY= 25.3 kJ/mol ( -458.2265653 Hartree) Energy+ZPE= 17.5 kJ/mol ZPE= 0.1135056 CONNECTIONS: o TS98 ( 25.8) o EQ22 o TS99 ( 27.5) o EQ27 o TS100 ( 28.7) o EQ36
[ EQ15 ]
C1 ENERGY= 25.5 kJ/mol ( -458.2264888 Hartree) Energy+ZPE= 17.1 kJ/mol ZPE= 0.1133065 CONNECTIONS: o TS12 ( 28.9) o EQ0 o TS83 ( 28.6) o EQ9 o TS95 ( 26.8) o EQ13
[ EQ16 ]
C1 ENERGY= 25.5 kJ/mol ( -458.2264690 Hartree) Energy+ZPE= 15.4 kJ/mol ZPE= 0.1126288 CONNECTIONS: o TS13 ( 31.4) o EQ0 o TS43 ( 25.8) o EQ1 o TS67 ( 32.4) o EQ3 o TS101 ( 31.7) o EQ16 o TS102 ( 26.8) o EQ18 o TS103 ( 27.4) o EQ24 o TS104 ( 30.8) o EQ40 o TS105 ( 36.7) o EQ55
[ EQ17 ]
C1 ENERGY= 25.6 kJ/mol ( -458.2264597 Hartree) Energy+ZPE= 17.6 kJ/mol ZPE= 0.1134392 CONNECTIONS: o TS14 ( 26.6) o EQ0 o TS15 ( 27.6) o EQ0 o TS89 ( 26.7) o EQ10 o TS106 ( 27.9) o EQ21 o TS107 ( 29.1) o EQ35
[ EQ18 ]
C1 ENERGY= 25.6 kJ/mol ( -458.2264569 Hartree) Energy+ZPE= 15.2 kJ/mol ZPE= 0.1125376 CONNECTIONS: o TS44 ( 25.9) o EQ1 o TS102 ( 26.8) o EQ16 o TS108 ( 31.8) o EQ18 o TS109 ( 27.5) o EQ25 o TS110 ( 35.7) o EQ51
[ EQ19 ]
C1 ENERGY= 25.7 kJ/mol ( -458.2264179 Hartree) Energy+ZPE= 16.0 kJ/mol ZPE= 0.1127869 CONNECTIONS: o TS16 ( 25.8) o EQ0 o TS111 ( 28.4) o EQ34
[ EQ20 ]
C1 ENERGY= 25.7 kJ/mol ( -458.2264056 Hartree) Energy+ZPE= 15.8 kJ/mol ZPE= 0.1127050 CONNECTIONS: o TS45 ( 35.0) o EQ1 o TS68 ( 26.3) o EQ3
[ EQ21 ]
C1 ENERGY= 25.7 kJ/mol ( -458.2263935 Hartree) Energy+ZPE= 17.3 kJ/mol ZPE= 0.1132843 CONNECTIONS: o TS106 ( 27.9) o EQ17 o TS112 ( 30.8) o EQ21 o TS113 ( 27.5) o EQ26 o TS114 ( 27.8) o EQ31 o TS115 ( 34.3) o EQ39 o TS116 ( 35.6) o EQ51
[ EQ22 ]
C1 ENERGY= 25.8 kJ/mol ( -458.2263802 Hartree) Energy+ZPE= 17.8 kJ/mol ZPE= 0.1134290 CONNECTIONS: o TS46 ( 25.8) o EQ1 o TS47 ( 26.0) o EQ1 o TS84 ( 25.9) o EQ9 o TS98 ( 25.8) o EQ14
[ EQ23 ]
C1 ENERGY= 26.0 kJ/mol ( -458.2262796 Hartree) Energy+ZPE= 16.8 kJ/mol ZPE= 0.1129886 CONNECTIONS: o TS17 ( 27.5) o EQ0 o TS18 ( 28.4) o EQ0 o TS61 ( 26.6) o EQ2 o TS74 ( 27.1) o EQ4 o TS117 ( 28.5) o EQ29 o TS118 ( 28.8) o EQ29
[ EQ24 ]
C1 ENERGY= 26.1 kJ/mol ( -458.2262594 Hartree) Energy+ZPE= 16.3 kJ/mol ZPE= 0.1127771 CONNECTIONS: o TS75 ( 27.4) o EQ4 o TS78 ( 26.4) o EQ5 o TS103 ( 27.4) o EQ16 o TS119 ( 27.1) o EQ25 o TS120 ( 27.5) o EQ25
[ EQ25 ]
C1 ENERGY= 26.1 kJ/mol ( -458.2262515 Hartree) Energy+ZPE= 16.2 kJ/mol ZPE= 0.1127333 CONNECTIONS: o TS69 ( 26.4) o EQ3 o TS109 ( 27.5) o EQ18 o TS119 ( 27.1) o EQ24 o TS120 ( 27.5) o EQ24 o TS149 ( 34.2) o xx
[ EQ26 ]
C1 ENERGY= 26.3 kJ/mol ( -458.2261688 Hartree) Energy+ZPE= 18.3 kJ/mol ZPE= 0.1134545 CONNECTIONS: o TS48 ( 26.7) o EQ1 o TS113 ( 27.5) o EQ21 o TS121 ( 30.1) o EQ37
[ EQ27 ]
C1 ENERGY= 26.5 kJ/mol ( -458.2261070 Hartree) Energy+ZPE= 18.4 kJ/mol ZPE= 0.1134006 CONNECTIONS: o TS96 ( 27.8) o EQ13 o TS99 ( 27.5) o EQ14 o TS122 ( 29.7) o EQ37
[ EQ28 ]
C1 ENERGY= 27.0 kJ/mol ( -458.2259009 Hartree) Energy+ZPE= 17.8 kJ/mol ZPE= 0.1130025 CONNECTIONS: o TS49 ( 27.6) o EQ1 o TS90 ( 28.1) o EQ10 o TS123 ( 35.9) o EQ28 o TS124 ( 36.4) o EQ44 o TS125 ( 37.2) o EQ52
[ EQ29 ]
C1 ENERGY= 27.1 kJ/mol ( -458.2258773 Hartree) Energy+ZPE= 16.9 kJ/mol ZPE= 0.1126206 CONNECTIONS: o TS19 ( 27.9) o EQ0 o TS117 ( 28.5) o EQ23 o TS118 ( 28.8) o EQ23 o TS126 ( 28.0) o EQ29 o TS127 ( 27.6) o EQ33 o TS128 ( 33.6) o EQ45 o TS129 ( 33.9) o EQ46 o TS130 ( 34.0) o EQ47
[ EQ30 ]
C1 ENERGY= 27.2 kJ/mol ( -458.2258206 Hartree) Energy+ZPE= 18.0 kJ/mol ZPE= 0.1129869 CONNECTIONS:
[ EQ31 ]
C1 ENERGY= 27.3 kJ/mol ( -458.2258068 Hartree) Energy+ZPE= 18.0 kJ/mol ZPE= 0.1129413 CONNECTIONS: o TS20 ( 28.1) o EQ0 o TS114 ( 27.8) o EQ21 o TS131 ( 28.4) o EQ36
[ EQ32 ]
C1 ENERGY= 27.3 kJ/mol ( -458.2257954 Hartree) Energy+ZPE= 17.8 kJ/mol ZPE= 0.1128655 CONNECTIONS: o TS21 ( 33.8) o EQ0 o TS76 ( 29.2) o EQ4 o TS132 ( 30.2) o EQ38
[ EQ33 ]
C1 ENERGY= 27.4 kJ/mol ( -458.2257655 Hartree) Energy+ZPE= 17.9 kJ/mol ZPE= 0.1128699 CONNECTIONS: o TS50 ( 30.8) o EQ1 o TS127 ( 27.6) o EQ29 o TS133 ( 33.5) o EQ42 o TS134 ( 33.8) o EQ43 o TS135 ( 36.7) o EQ45 o TS136 ( 33.5) o EQ47 o TS137 ( 36.6) o EQ52
[ EQ34 ]
C1 ENERGY= 27.7 kJ/mol ( -458.2256550 Hartree) Energy+ZPE= 17.4 kJ/mol ZPE= 0.1125812 CONNECTIONS: o TS111 ( 28.4) o EQ19
[ EQ35 ]
C1 ENERGY= 27.7 kJ/mol ( -458.2256506 Hartree) Energy+ZPE= 18.7 kJ/mol ZPE= 0.1130821 CONNECTIONS: o TS22 ( 27.9) o EQ0 o TS51 ( 28.6) o EQ1 o TS107 ( 29.1) o EQ17 o TS138 ( 30.2) o EQ36
[ EQ36 ]
C1 ENERGY= 28.0 kJ/mol ( -458.2255298 Hartree) Energy+ZPE= 18.7 kJ/mol ZPE= 0.1129604 CONNECTIONS: o TS52 ( 34.2) o EQ1 o TS85 ( 37.2) o EQ9 o TS100 ( 28.7) o EQ14 o TS131 ( 28.4) o EQ31 o TS138 ( 30.2) o EQ35 o TS139 ( 30.1) o EQ37 o TS140 ( 36.1) o EQ44
[ EQ37 ]
C1 ENERGY= 29.1 kJ/mol ( -458.2251046 Hartree) Energy+ZPE= 19.8 kJ/mol ZPE= 0.1129544 CONNECTIONS: o TS23 ( 30.4) o EQ0 o TS53 ( 30.7) o EQ1 o TS121 ( 30.1) o EQ26 o TS122 ( 29.7) o EQ27 o TS139 ( 30.1) o EQ36
[ EQ38 ]
C1 ENERGY= 29.6 kJ/mol ( -458.2249202 Hartree) Energy+ZPE= 18.1 kJ/mol ZPE= 0.1121312 CONNECTIONS: o TS24 ( 29.8) o EQ0 o TS132 ( 30.2) o EQ32
[ EQ39 ]
Cs ENERGY= 30.5 kJ/mol ( -458.2245620 Hartree) Energy+ZPE= 21.1 kJ/mol ZPE= 0.1128976 CONNECTIONS: o TS91 ( 33.1) o EQ10 o TS115 ( 34.3) o EQ21 o TS141 ( 33.9) o EQ44
[ EQ40 ]
Ci ENERGY= 30.7 kJ/mol ( -458.2244879 Hartree) Energy+ZPE= 18.8 kJ/mol ZPE= 0.1119443 CONNECTIONS: o TS104 ( 30.8) o EQ16
[ EQ41 ]
C2h ENERGY= 31.4 kJ/mol ( -458.2242437 Hartree) Energy+ZPE= 20.1 kJ/mol ZPE= 0.1122065 CONNECTIONS: o TS54 ( 36.2) o EQ1 o TS142 ( 33.7) o EQ46
[ EQ42 ]
Cs ENERGY= 32.5 kJ/mol ( -458.2238059 Hartree) Energy+ZPE= 21.4 kJ/mol ZPE= 0.1122638 CONNECTIONS: o TS133 ( 33.5) o EQ33 o TS143 ( 36.6) o EQ52
[ EQ43 ]
C1 ENERGY= 32.7 kJ/mol ( -458.2237425 Hartree) Energy+ZPE= 20.6 kJ/mol ZPE= 0.1118831 CONNECTIONS: o TS25 ( 32.8) o EQ0 o TS26 ( 33.5) o EQ0 o TS27 ( 33.7) o EQ0 o TS134 ( 33.8) o EQ33
[ EQ44 ]
Cs ENERGY= 32.8 kJ/mol ( -458.2237078 Hartree) Energy+ZPE= 22.1 kJ/mol ZPE= 0.1124225 CONNECTIONS: o TS97 ( 33.9) o EQ13 o TS124 ( 36.4) o EQ28 o TS140 ( 36.1) o EQ36 o TS141 ( 33.9) o EQ39 o TS144 ( 39.0) o EQ57
[ EQ45 ]
C1 ENERGY= 32.9 kJ/mol ( -458.2236538 Hartree) Energy+ZPE= 21.3 kJ/mol ZPE= 0.1120797 CONNECTIONS: o TS128 ( 33.6) o EQ29 o TS135 ( 36.7) o EQ33
[ EQ46 ]
Cs ENERGY= 33.1 kJ/mol ( -458.2235885 Hartree) Energy+ZPE= 20.0 kJ/mol ZPE= 0.1115043 CONNECTIONS: o TS28 ( 35.0) o EQ0 o TS129 ( 33.9) o EQ29 o TS142 ( 33.7) o EQ41 o TS145 ( 33.7) o EQ47 o TS146 ( 34.7) o EQ48
[ EQ47 ]
C1 ENERGY= 33.2 kJ/mol ( -458.2235572 Hartree) Energy+ZPE= 20.5 kJ/mol ZPE= 0.1116466 CONNECTIONS: o TS130 ( 34.0) o EQ29 o TS136 ( 33.5) o EQ33 o TS145 ( 33.7) o EQ46
[ EQ48 ]
Ci ENERGY= 34.2 kJ/mol ( -458.2231751 Hartree) Energy+ZPE= 19.6 kJ/mol ZPE= 0.1109434 CONNECTIONS: o TS146 ( 34.7) o EQ46
[ EQ49 ]
Cs ENERGY= 34.9 kJ/mol ( -458.2229049 Hartree) Energy+ZPE= 23.2 kJ/mol ZPE= 0.1120421 CONNECTIONS: o TS147 ( 39.0) o EQ57
[ EQ50 ]
C1 ENERGY= 35.3 kJ/mol ( -458.2227642 Hartree) Energy+ZPE= 22.9 kJ/mol ZPE= 0.1117734 CONNECTIONS:
[ EQ51 ]
C1 ENERGY= 35.4 kJ/mol ( -458.2227076 Hartree) Energy+ZPE= 22.3 kJ/mol ZPE= 0.1115115 CONNECTIONS: o TS86 ( 35.8) o EQ9 o TS110 ( 35.7) o EQ18 o TS116 ( 35.6) o EQ21
[ EQ52 ]
Cs ENERGY= 35.6 kJ/mol ( -458.2226352 Hartree) Energy+ZPE= 22.7 kJ/mol ZPE= 0.1115775 CONNECTIONS: o TS125 ( 37.2) o EQ28 o TS137 ( 36.6) o EQ33 o TS143 ( 36.6) o EQ42
[ EQ53 ]
Cs ENERGY= 36.0 kJ/mol ( -458.2224754 Hartree) Energy+ZPE= 23.3 kJ/mol ZPE= 0.1116746 CONNECTIONS: o TS55 ( 36.9) o EQ1 o TS92 ( 36.2) o EQ10 o TS93 ( 36.7) o EQ10
[ EQ54 ]
C1 ENERGY= 36.4 kJ/mol ( -458.2223296 Hartree) Energy+ZPE= 21.4 kJ/mol ZPE= 0.1107776 CONNECTIONS: o TS77 ( 36.5) o EQ4 o TS81 ( 36.7) o EQ7 o TS150 ( 36.9) o xx
[ EQ55 ]
Cs ENERGY= 36.7 kJ/mol ( -458.2222292 Hartree) Energy+ZPE= 21.8 kJ/mol ZPE= 0.1108242 CONNECTIONS: o TS105 ( 36.7) o EQ16
[ EQ56 ]
C1 ENERGY= 36.9 kJ/mol ( -458.2221367 Hartree) Energy+ZPE= 22.6 kJ/mol ZPE= 0.1110529 CONNECTIONS:
[ EQ57 ]
C2h ENERGY= 38.0 kJ/mol ( -458.2217276 Hartree) Energy+ZPE= 24.6 kJ/mol ZPE= 0.1114076 CONNECTIONS: o TS144 ( 39.0) o EQ44 o TS147 ( 39.0) o EQ49
[ EQ58 ]
Cs ENERGY= 39.1 kJ/mol ( -458.2212864 Hartree) Energy+ZPE= 24.7 kJ/mol ZPE= 0.1109896 CONNECTIONS: o TS151 ( 39.2) o xx
[ TS0 ] Animation
C1 ENERGY= 19.1 kJ/mol Energy+ZPE= 11.0 kJ/mol ZPE= 0.1134149 CONNECTIONS: o EQ0 o EQ0
[ TS1 ] Animation
C1 ENERGY= 34.2 kJ/mol Energy+ZPE= 19.8 kJ/mol ZPE= 0.1110077 CONNECTIONS: o EQ0 o EQ0
[ TS2 ] Animation
C1 ENERGY= 23.1 kJ/mol Energy+ZPE= 16.0 kJ/mol ZPE= 0.1137740 CONNECTIONS: o EQ0 o EQ2
[ TS3 ] Animation
C1 ENERGY= 23.2 kJ/mol Energy+ZPE= 15.6 kJ/mol ZPE= 0.1136168 CONNECTIONS: o EQ0 o EQ2
[ TS4 ] Animation
C1 ENERGY= 21.7 kJ/mol Energy+ZPE= 13.7 kJ/mol ZPE= 0.1134300 CONNECTIONS: o EQ0 o EQ4
[ TS5 ] Animation
C1 ENERGY= 23.5 kJ/mol Energy+ZPE= 15.3 kJ/mol ZPE= 0.1133620 CONNECTIONS: o EQ0 o EQ6
[ TS6 ] Animation
C1 ENERGY= 23.1 kJ/mol Energy+ZPE= 14.3 kJ/mol ZPE= 0.1131360 CONNECTIONS: o EQ0 o EQ7
[ TS7 ] Animation
C1 ENERGY= 24.8 kJ/mol Energy+ZPE= 16.2 kJ/mol ZPE= 0.1132342 CONNECTIONS: o EQ0 o EQ11
[ TS8 ] Animation
C1 ENERGY= 24.9 kJ/mol Energy+ZPE= 15.4 kJ/mol ZPE= 0.1128728 CONNECTIONS: o EQ0 o EQ11
[ TS9 ] Animation
C1 ENERGY= 27.2 kJ/mol Energy+ZPE= 18.7 kJ/mol ZPE= 0.1132484 CONNECTIONS: o EQ0 o EQ13
[ TS10 ] Animation
C1 ENERGY= 28.5 kJ/mol Energy+ZPE= 18.9 kJ/mol ZPE= 0.1128552 CONNECTIONS: o EQ0 o EQ13
[ TS11 ] Animation
C1 ENERGY= 33.8 kJ/mol Energy+ZPE= 22.4 kJ/mol ZPE= 0.1121357 CONNECTIONS: o EQ0 o EQ13
[ TS12 ] Animation
C1 ENERGY= 28.9 kJ/mol Energy+ZPE= 19.3 kJ/mol ZPE= 0.1128356 CONNECTIONS: o EQ0 o EQ15
[ TS13 ] Animation
C1 ENERGY= 31.4 kJ/mol Energy+ZPE= 19.1 kJ/mol ZPE= 0.1118233 CONNECTIONS: o EQ0 o EQ16
[ TS14 ] Animation
C1 ENERGY= 26.6 kJ/mol Energy+ZPE= 17.7 kJ/mol ZPE= 0.1130905 CONNECTIONS: o EQ0 o EQ17
[ TS15 ] Animation
C1 ENERGY= 27.6 kJ/mol Energy+ZPE= 19.1 kJ/mol ZPE= 0.1132673 CONNECTIONS: o EQ0 o EQ17
[ TS16 ] Animation
C1 ENERGY= 25.8 kJ/mol Energy+ZPE= 15.8 kJ/mol ZPE= 0.1126659 CONNECTIONS: o EQ0 o EQ19
[ TS17 ] Animation
C1 ENERGY= 27.5 kJ/mol Energy+ZPE= 16.7 kJ/mol ZPE= 0.1123673 CONNECTIONS: o EQ0 o EQ23
[ TS18 ] Animation
C1 ENERGY= 28.4 kJ/mol Energy+ZPE= 16.6 kJ/mol ZPE= 0.1120124 CONNECTIONS: o EQ0 o EQ23
[ TS19 ] Animation
C1 ENERGY= 27.9 kJ/mol Energy+ZPE= 17.7 kJ/mol ZPE= 0.1126042 CONNECTIONS: o EQ0 o EQ29
[ TS20 ] Animation
C1 ENERGY= 28.1 kJ/mol Energy+ZPE= 17.5 kJ/mol ZPE= 0.1124478 CONNECTIONS: o EQ0 o EQ31
[ TS21 ] Animation
C1 ENERGY= 33.8 kJ/mol Energy+ZPE= 20.4 kJ/mol ZPE= 0.1113974 CONNECTIONS: o EQ0 o EQ32
[ TS22 ] Animation
C1 ENERGY= 27.9 kJ/mol Energy+ZPE= 18.7 kJ/mol ZPE= 0.1130078 CONNECTIONS: o EQ0 o EQ35
[ TS23 ] Animation
C1 ENERGY= 30.4 kJ/mol Energy+ZPE= 20.5 kJ/mol ZPE= 0.1127037 CONNECTIONS: o EQ0 o EQ37
[ TS24 ] Animation
C1 ENERGY= 29.8 kJ/mol Energy+ZPE= 18.2 kJ/mol ZPE= 0.1120686 CONNECTIONS: o EQ0 o EQ38
[ TS25 ] Animation
C1 ENERGY= 32.8 kJ/mol Energy+ZPE= 20.4 kJ/mol ZPE= 0.1117596 CONNECTIONS: o EQ0 o EQ43
[ TS26 ] Animation
C1 ENERGY= 33.5 kJ/mol Energy+ZPE= 20.3 kJ/mol ZPE= 0.1114482 CONNECTIONS: o EQ0 o EQ43
[ TS27 ] Animation
C1 ENERGY= 33.7 kJ/mol Energy+ZPE= 21.1 kJ/mol ZPE= 0.1116973 CONNECTIONS: o EQ0 o EQ43
[ TS28 ] Animation
C1 ENERGY= 35.0 kJ/mol Energy+ZPE= 22.3 kJ/mol ZPE= 0.1116452 CONNECTIONS: o EQ0 o EQ46
[ TS29 ] Animation
C1 ENERGY= 35.0 kJ/mol Energy+ZPE= 24.0 kJ/mol ZPE= 0.1122968 CONNECTIONS: o EQ0 o xx
[ TS30 ] Animation
C1 ENERGY= 20.3 kJ/mol Energy+ZPE= 10.9 kJ/mol ZPE= 0.1129123 CONNECTIONS: o EQ1 o EQ1
[ TS31 ] Animation
C1 ENERGY= 21.0 kJ/mol Energy+ZPE= 11.1 kJ/mol ZPE= 0.1127339 CONNECTIONS: o EQ1 o EQ1
[ TS32 ] Animation
C1 ENERGY= 21.3 kJ/mol Energy+ZPE= 11.4 kJ/mol ZPE= 0.1127199 CONNECTIONS: o EQ1 o EQ1
[ TS33 ] Animation
C1 ENERGY= 29.4 kJ/mol Energy+ZPE= 18.9 kJ/mol ZPE= 0.1124788 CONNECTIONS: o EQ1 o EQ1
[ TS34 ] Animation
C1 ENERGY= 18.6 kJ/mol Energy+ZPE= 9.0 kJ/mol ZPE= 0.1128447 CONNECTIONS: o EQ1 o EQ3
[ TS35 ] Animation
C1 ENERGY= 20.1 kJ/mol Energy+ZPE= 10.3 kJ/mol ZPE= 0.1127568 CONNECTIONS: o EQ1 o EQ3
[ TS36 ] Animation
C1 ENERGY= 20.2 kJ/mol Energy+ZPE= 10.4 kJ/mol ZPE= 0.1127599 CONNECTIONS: o EQ1 o EQ3
[ TS37 ] Animation
C1 ENERGY= 20.8 kJ/mol Energy+ZPE= 10.6 kJ/mol ZPE= 0.1126035 CONNECTIONS: o EQ1 o EQ3
[ TS38 ] Animation
C1 ENERGY= 28.2 kJ/mol Energy+ZPE= 17.4 kJ/mol ZPE= 0.1123720 CONNECTIONS: o EQ1 o EQ3
[ TS39 ] Animation
C1 ENERGY= 22.2 kJ/mol Energy+ZPE= 12.9 kJ/mol ZPE= 0.1129675 CONNECTIONS: o EQ1 o EQ5
[ TS40 ] Animation
C1 ENERGY= 26.5 kJ/mol Energy+ZPE= 17.6 kJ/mol ZPE= 0.1131043 CONNECTIONS: o EQ1 o EQ10
[ TS41 ] Animation
C1 ENERGY= 27.1 kJ/mol Energy+ZPE= 18.0 kJ/mol ZPE= 0.1130392 CONNECTIONS: o EQ1 o EQ13
[ TS42 ] Animation
C1 ENERGY= 28.6 kJ/mol Energy+ZPE= 19.0 kJ/mol ZPE= 0.1128301 CONNECTIONS: o EQ1 o EQ13
[ TS43 ] Animation
C1 ENERGY= 25.8 kJ/mol Energy+ZPE= 15.6 kJ/mol ZPE= 0.1126152 CONNECTIONS: o EQ1 o EQ16
[ TS44 ] Animation
C1 ENERGY= 25.9 kJ/mol Energy+ZPE= 15.6 kJ/mol ZPE= 0.1125726 CONNECTIONS: o EQ1 o EQ18
[ TS45 ] Animation
C1 ENERGY= 35.0 kJ/mol Energy+ZPE= 22.5 kJ/mol ZPE= 0.1117362 CONNECTIONS: o EQ1 o EQ20
[ TS46 ] Animation
C1 ENERGY= 25.8 kJ/mol Energy+ZPE= 17.1 kJ/mol ZPE= 0.1131769 CONNECTIONS: o EQ1 o EQ22
[ TS47 ] Animation
C1 ENERGY= 26.0 kJ/mol Energy+ZPE= 17.6 kJ/mol ZPE= 0.1132958 CONNECTIONS: o EQ1 o EQ22
[ TS48 ] Animation
C1 ENERGY= 26.7 kJ/mol Energy+ZPE= 18.1 kJ/mol ZPE= 0.1132352 CONNECTIONS: o EQ1 o EQ26
[ TS49 ] Animation
C1 ENERGY= 27.6 kJ/mol Energy+ZPE= 18.0 kJ/mol ZPE= 0.1128509 CONNECTIONS: o EQ1 o EQ28
[ TS50 ] Animation
C1 ENERGY= 30.8 kJ/mol Energy+ZPE= 19.8 kJ/mol ZPE= 0.1123086 CONNECTIONS: o EQ1 o EQ33
[ TS51 ] Animation
C1 ENERGY= 28.6 kJ/mol Energy+ZPE= 19.2 kJ/mol ZPE= 0.1129137 CONNECTIONS: o EQ1 o EQ35
[ TS52 ] Animation
C1 ENERGY= 34.2 kJ/mol Energy+ZPE= 22.3 kJ/mol ZPE= 0.1119755 CONNECTIONS: o EQ1 o EQ36
[ TS53 ] Animation
C1 ENERGY= 30.7 kJ/mol Energy+ZPE= 20.3 kJ/mol ZPE= 0.1125414 CONNECTIONS: o EQ1 o EQ37
[ TS54 ] Animation
C1 ENERGY= 36.2 kJ/mol Energy+ZPE= 24.1 kJ/mol ZPE= 0.1118993 CONNECTIONS: o EQ1 o EQ41
[ TS55 ] Animation
C1 ENERGY= 36.9 kJ/mol Energy+ZPE= 23.7 kJ/mol ZPE= 0.1114647 CONNECTIONS: o EQ1 o EQ53
[ TS56 ] Animation
C1 ENERGY= 30.5 kJ/mol Energy+ZPE= 19.0 kJ/mol ZPE= 0.1121006 CONNECTIONS: o EQ2 o EQ4
[ TS57 ] Animation
C1 ENERGY= 22.8 kJ/mol Energy+ZPE= 13.9 kJ/mol ZPE= 0.1131210 CONNECTIONS: o EQ2 o EQ6
[ TS58 ] Animation
C1 ENERGY= 22.4 kJ/mol Energy+ZPE= 14.3 kJ/mol ZPE= 0.1134168 CONNECTIONS: o EQ2 o EQ7
[ TS59 ] Animation
C1 ENERGY= 25.6 kJ/mol Energy+ZPE= 17.0 kJ/mol ZPE= 0.1132226 CONNECTIONS: o EQ2 o EQ12
[ TS60 ] Animation
C1 ENERGY= 25.8 kJ/mol Energy+ZPE= 17.3 kJ/mol ZPE= 0.1132659 CONNECTIONS: o EQ2 o EQ12
[ TS61 ] Animation
C1 ENERGY= 26.6 kJ/mol Energy+ZPE= 16.8 kJ/mol ZPE= 0.1127689 CONNECTIONS: o EQ2 o EQ23
[ TS62 ] Animation
C1 ENERGY= 22.9 kJ/mol Energy+ZPE= 13.2 kJ/mol ZPE= 0.1127968 CONNECTIONS: o EQ3 o EQ5
[ TS63 ] Animation
C1 ENERGY= 24.1 kJ/mol Energy+ZPE= 14.5 kJ/mol ZPE= 0.1128263 CONNECTIONS: o EQ3 o EQ6
[ TS64 ] Animation
C1 ENERGY= 22.7 kJ/mol Energy+ZPE= 10.5 kJ/mol ZPE= 0.1118632 CONNECTIONS: o EQ3 o EQ8
[ TS65 ] Animation
C1 ENERGY= 23.9 kJ/mol Energy+ZPE= 11.8 kJ/mol ZPE= 0.1118674 CONNECTIONS: o EQ3 o EQ8
[ TS66 ] Animation
C1 ENERGY= 26.6 kJ/mol Energy+ZPE= 17.0 kJ/mol ZPE= 0.1128256 CONNECTIONS: o EQ3 o EQ12
[ TS67 ] Animation
C1 ENERGY= 32.4 kJ/mol Energy+ZPE= 18.9 kJ/mol ZPE= 0.1113620 CONNECTIONS: o EQ3 o EQ16
[ TS68 ] Animation
C1 ENERGY= 26.3 kJ/mol Energy+ZPE= 16.0 kJ/mol ZPE= 0.1125723 CONNECTIONS: o EQ3 o EQ20
[ TS69 ] Animation
C1 ENERGY= 26.4 kJ/mol Energy+ZPE= 16.5 kJ/mol ZPE= 0.1127186 CONNECTIONS: o EQ3 o EQ25
[ TS70 ] Animation
C1 ENERGY= 24.7 kJ/mol Energy+ZPE= 15.3 kJ/mol ZPE= 0.1129037 CONNECTIONS: o EQ4 o EQ5
[ TS71 ] Animation
C1 ENERGY= 23.1 kJ/mol Energy+ZPE= 15.3 kJ/mol ZPE= 0.1135199 CONNECTIONS: o EQ4 o EQ6
[ TS72 ] Animation
C1 ENERGY= 24.0 kJ/mol Energy+ZPE= 14.9 kJ/mol ZPE= 0.1130308 CONNECTIONS: o EQ4 o EQ6
[ TS73 ] Animation
C1 ENERGY= 25.5 kJ/mol Energy+ZPE= 16.5 kJ/mol ZPE= 0.1130797 CONNECTIONS: o EQ4 o EQ9
[ TS74 ] Animation
C1 ENERGY= 27.1 kJ/mol Energy+ZPE= 18.1 kJ/mol ZPE= 0.1130697 CONNECTIONS: o EQ4 o EQ23
[ TS75 ] Animation
C1 ENERGY= 27.4 kJ/mol Energy+ZPE= 17.0 kJ/mol ZPE= 0.1125253 CONNECTIONS: o EQ4 o EQ24
[ TS76 ] Animation
C1 ENERGY= 29.2 kJ/mol Energy+ZPE= 17.9 kJ/mol ZPE= 0.1121919 CONNECTIONS: o EQ4 o EQ32
[ TS77 ] Animation
C1 ENERGY= 36.5 kJ/mol Energy+ZPE= 21.2 kJ/mol ZPE= 0.1106758 CONNECTIONS: o EQ4 o EQ54
[ TS78 ] Animation
C1 ENERGY= 26.4 kJ/mol Energy+ZPE= 16.6 kJ/mol ZPE= 0.1127701 CONNECTIONS: o EQ5 o EQ24
[ TS79 ] Animation
C1 ENERGY= 24.8 kJ/mol Energy+ZPE= 13.6 kJ/mol ZPE= 0.1122352 CONNECTIONS: o EQ6 o EQ8
[ TS80 ] Animation
C1 ENERGY= 27.7 kJ/mol Energy+ZPE= 17.3 kJ/mol ZPE= 0.1125280 CONNECTIONS: o EQ7 o EQ12
[ TS81 ] Animation
C1 ENERGY= 36.7 kJ/mol Energy+ZPE= 21.7 kJ/mol ZPE= 0.1107873 CONNECTIONS: o EQ7 o EQ54
[ TS82 ] Animation
Cs ENERGY= 38.8 kJ/mol Energy+ZPE= 25.5 kJ/mol ZPE= 0.1114320 CONNECTIONS: o EQ9 o EQ9
[ TS83 ] Animation
C1 ENERGY= 28.6 kJ/mol Energy+ZPE= 18.8 kJ/mol ZPE= 0.1127656 CONNECTIONS: o EQ9 o EQ15
[ TS84 ] Animation
C1 ENERGY= 25.9 kJ/mol Energy+ZPE= 17.3 kJ/mol ZPE= 0.1132136 CONNECTIONS: o EQ9 o EQ22
[ TS85 ] Animation
C1 ENERGY= 37.2 kJ/mol Energy+ZPE= 23.6 kJ/mol ZPE= 0.1113024 CONNECTIONS: o EQ9 o EQ36
[ TS86 ] Animation
C1 ENERGY= 35.8 kJ/mol Energy+ZPE= 22.3 kJ/mol ZPE= 0.1113512 CONNECTIONS: o EQ9 o EQ51
[ TS87 ] Animation
C1 ENERGY= 29.4 kJ/mol Energy+ZPE= 19.2 kJ/mol ZPE= 0.1125966 CONNECTIONS: o EQ10 o EQ10
[ TS88 ] Animation
C1 ENERGY= 34.6 kJ/mol Energy+ZPE= 22.0 kJ/mol ZPE= 0.1116837 CONNECTIONS: o EQ10 o EQ10
[ TS89 ] Animation
C1 ENERGY= 26.7 kJ/mol Energy+ZPE= 17.8 kJ/mol ZPE= 0.1131037 CONNECTIONS: o EQ10 o EQ17
[ TS90 ] Animation
C1 ENERGY= 28.1 kJ/mol Energy+ZPE= 18.3 kJ/mol ZPE= 0.1127622 CONNECTIONS: o EQ10 o EQ28
[ TS91 ] Animation
C1 ENERGY= 33.1 kJ/mol Energy+ZPE= 22.8 kJ/mol ZPE= 0.1125554 CONNECTIONS: o EQ10 o EQ39
[ TS92 ] Animation
Cs ENERGY= 36.2 kJ/mol Energy+ZPE= 23.0 kJ/mol ZPE= 0.1114821 CONNECTIONS: o EQ10 o EQ53
[ TS93 ] Animation
C1 ENERGY= 36.7 kJ/mol Energy+ZPE= 23.3 kJ/mol ZPE= 0.1113954 CONNECTIONS: o EQ10 o EQ53
[ TS94 ] Animation
C1 ENERGY= 25.0 kJ/mol Energy+ZPE= 17.4 kJ/mol ZPE= 0.1136021 CONNECTIONS: o EQ11 o EQ11
[ TS95 ] Animation
C1 ENERGY= 26.8 kJ/mol Energy+ZPE= 17.5 kJ/mol ZPE= 0.1129452 CONNECTIONS: o EQ13 o EQ15
[ TS96 ] Animation
C1 ENERGY= 27.8 kJ/mol Energy+ZPE= 18.5 kJ/mol ZPE= 0.1129515 CONNECTIONS: o EQ13 o EQ27
[ TS97 ] Animation
C1 ENERGY= 33.9 kJ/mol Energy+ZPE= 22.9 kJ/mol ZPE= 0.1122865 CONNECTIONS: o EQ13 o EQ44
[ TS98 ] Animation
C1 ENERGY= 25.8 kJ/mol Energy+ZPE= 17.9 kJ/mol ZPE= 0.1134791 CONNECTIONS: o EQ14 o EQ22
[ TS99 ] Animation
C1 ENERGY= 27.5 kJ/mol Energy+ZPE= 18.4 kJ/mol ZPE= 0.1130159 CONNECTIONS: o EQ14 o EQ27
[ TS100 ] Animation
C1 ENERGY= 28.7 kJ/mol Energy+ZPE= 19.0 kJ/mol ZPE= 0.1127836 CONNECTIONS: o EQ14 o EQ36
[ TS101 ] Animation
Cs ENERGY= 31.7 kJ/mol Energy+ZPE= 18.3 kJ/mol ZPE= 0.1114060 CONNECTIONS: o EQ16 o EQ16
[ TS102 ] Animation
C1 ENERGY= 26.8 kJ/mol Energy+ZPE= 16.0 kJ/mol ZPE= 0.1123889 CONNECTIONS: o EQ16 o EQ18
[ TS103 ] Animation
C1 ENERGY= 27.4 kJ/mol Energy+ZPE= 16.3 kJ/mol ZPE= 0.1122620 CONNECTIONS: o EQ16 o EQ24
[ TS104 ] Animation
C1 ENERGY= 30.8 kJ/mol Energy+ZPE= 18.7 kJ/mol ZPE= 0.1118733 CONNECTIONS: o EQ16 o EQ40
[ TS105 ] Animation
C1 ENERGY= 36.7 kJ/mol Energy+ZPE= 21.8 kJ/mol ZPE= 0.1108165 CONNECTIONS: o EQ16 o EQ55
[ TS106 ] Animation
C1 ENERGY= 27.9 kJ/mol Energy+ZPE= 18.4 kJ/mol ZPE= 0.1128558 CONNECTIONS: o EQ17 o EQ21
[ TS107 ] Animation
C1 ENERGY= 29.1 kJ/mol Energy+ZPE= 19.4 kJ/mol ZPE= 0.1127867 CONNECTIONS: o EQ17 o EQ35
[ TS108 ] Animation
C1 ENERGY= 31.8 kJ/mol Energy+ZPE= 18.1 kJ/mol ZPE= 0.1112591 CONNECTIONS: o EQ18 o EQ18
[ TS109 ] Animation
C1 ENERGY= 27.5 kJ/mol Energy+ZPE= 16.2 kJ/mol ZPE= 0.1121834 CONNECTIONS: o EQ18 o EQ25
[ TS110 ] Animation
C1 ENERGY= 35.7 kJ/mol Energy+ZPE= 22.4 kJ/mol ZPE= 0.1114154 CONNECTIONS: o EQ18 o EQ51
[ TS111 ] Animation
C1 ENERGY= 28.4 kJ/mol Energy+ZPE= 17.1 kJ/mol ZPE= 0.1121903 CONNECTIONS: o EQ19 o EQ34
[ TS112 ] Animation
Cs ENERGY= 30.8 kJ/mol Energy+ZPE= 19.6 kJ/mol ZPE= 0.1122425 CONNECTIONS: o EQ21 o EQ21
[ TS113 ] Animation
C1 ENERGY= 27.5 kJ/mol Energy+ZPE= 18.2 kJ/mol ZPE= 0.1129571 CONNECTIONS: o EQ21 o EQ26
[ TS114 ] Animation
C1 ENERGY= 27.8 kJ/mol Energy+ZPE= 18.4 kJ/mol ZPE= 0.1128961 CONNECTIONS: o EQ21 o EQ31
[ TS115 ] Animation
C1 ENERGY= 34.3 kJ/mol Energy+ZPE= 23.0 kJ/mol ZPE= 0.1121717 CONNECTIONS: o EQ21 o EQ39
[ TS116 ] Animation
C1 ENERGY= 35.6 kJ/mol Energy+ZPE= 22.3 kJ/mol ZPE= 0.1114346 CONNECTIONS: o EQ21 o EQ51
[ TS117 ] Animation
C1 ENERGY= 28.5 kJ/mol Energy+ZPE= 16.5 kJ/mol ZPE= 0.1119398 CONNECTIONS: o EQ23 o EQ29
[ TS118 ] Animation
C1 ENERGY= 28.8 kJ/mol Energy+ZPE= 17.5 kJ/mol ZPE= 0.1121980 CONNECTIONS: o EQ23 o EQ29
[ TS119 ] Animation
C1 ENERGY= 27.1 kJ/mol Energy+ZPE= 16.7 kJ/mol ZPE= 0.1125235 CONNECTIONS: o EQ24 o EQ25
[ TS120 ] Animation
C1 ENERGY= 27.5 kJ/mol Energy+ZPE= 17.1 kJ/mol ZPE= 0.1125207 CONNECTIONS: o EQ24 o EQ25
[ TS121 ] Animation
C1 ENERGY= 30.1 kJ/mol Energy+ZPE= 20.1 kJ/mol ZPE= 0.1126970 CONNECTIONS: o EQ26 o EQ37
[ TS122 ] Animation
C1 ENERGY= 29.7 kJ/mol Energy+ZPE= 20.0 kJ/mol ZPE= 0.1127898 CONNECTIONS: o EQ27 o EQ37
[ TS123 ] Animation
C1 ENERGY= 35.9 kJ/mol Energy+ZPE= 22.5 kJ/mol ZPE= 0.1113721 CONNECTIONS: o EQ28 o EQ28
[ TS124 ] Animation
C1 ENERGY= 36.4 kJ/mol Energy+ZPE= 24.2 kJ/mol ZPE= 0.1118415 CONNECTIONS: o EQ28 o EQ44
[ TS125 ] Animation
C1 ENERGY= 37.2 kJ/mol Energy+ZPE= 22.9 kJ/mol ZPE= 0.1110415 CONNECTIONS: o EQ28 o EQ52
[ TS126 ] Animation
Cs ENERGY= 28.0 kJ/mol Energy+ZPE= 16.9 kJ/mol ZPE= 0.1122608 CONNECTIONS: o EQ29 o EQ29
[ TS127 ] Animation
C1 ENERGY= 27.6 kJ/mol Energy+ZPE= 17.2 kJ/mol ZPE= 0.1125340 CONNECTIONS: o EQ29 o EQ33
[ TS128 ] Animation
C1 ENERGY= 33.6 kJ/mol Energy+ZPE= 22.1 kJ/mol ZPE= 0.1121088 CONNECTIONS: o EQ29 o EQ45
[ TS129 ] Animation
C1 ENERGY= 33.9 kJ/mol Energy+ZPE= 20.2 kJ/mol ZPE= 0.1112675 CONNECTIONS: o EQ29 o EQ46
[ TS130 ] Animation
C1 ENERGY= 34.0 kJ/mol Energy+ZPE= 21.0 kJ/mol ZPE= 0.1115230 CONNECTIONS: o EQ29 o EQ47
[ TS131 ] Animation
C1 ENERGY= 28.4 kJ/mol Energy+ZPE= 18.9 kJ/mol ZPE= 0.1128890 CONNECTIONS: o EQ31 o EQ36
[ TS132 ] Animation
C1 ENERGY= 30.2 kJ/mol Energy+ZPE= 18.0 kJ/mol ZPE= 0.1118587 CONNECTIONS: o EQ32 o EQ38
[ TS133 ] Animation
C1 ENERGY= 33.5 kJ/mol Energy+ZPE= 22.0 kJ/mol ZPE= 0.1121263 CONNECTIONS: o EQ33 o EQ42
[ TS134 ] Animation
C1 ENERGY= 33.8 kJ/mol Energy+ZPE= 20.4 kJ/mol ZPE= 0.1114010 CONNECTIONS: o EQ33 o EQ43
[ TS135 ] Animation
C1 ENERGY= 36.7 kJ/mol Energy+ZPE= 23.0 kJ/mol ZPE= 0.1112651 CONNECTIONS: o EQ33 o EQ45
[ TS136 ] Animation
C1 ENERGY= 33.5 kJ/mol Energy+ZPE= 20.6 kJ/mol ZPE= 0.1115890 CONNECTIONS: o EQ33 o EQ47
[ TS137 ] Animation
C1 ENERGY= 36.6 kJ/mol Energy+ZPE= 23.3 kJ/mol ZPE= 0.1114351 CONNECTIONS: o EQ33 o EQ52
[ TS138 ] Animation
C1 ENERGY= 30.2 kJ/mol Energy+ZPE= 19.7 kJ/mol ZPE= 0.1125116 CONNECTIONS: o EQ35 o EQ36
[ TS139 ] Animation
C1 ENERGY= 30.1 kJ/mol Energy+ZPE= 19.7 kJ/mol ZPE= 0.1125415 CONNECTIONS: o EQ36 o EQ37
[ TS140 ] Animation
C1 ENERGY= 36.1 kJ/mol Energy+ZPE= 23.8 kJ/mol ZPE= 0.1118226 CONNECTIONS: o EQ36 o EQ44
[ TS141 ] Animation
C1 ENERGY= 33.9 kJ/mol Energy+ZPE= 22.6 kJ/mol ZPE= 0.1121850 CONNECTIONS: o EQ39 o EQ44
[ TS142 ] Animation
C1 ENERGY= 33.7 kJ/mol Energy+ZPE= 20.2 kJ/mol ZPE= 0.1113617 CONNECTIONS: o EQ41 o EQ46
[ TS143 ] Animation
C1 ENERGY= 36.6 kJ/mol Energy+ZPE= 23.1 kJ/mol ZPE= 0.1113572 CONNECTIONS: o EQ42 o EQ52
[ TS144 ] Animation
C1 ENERGY= 39.0 kJ/mol Energy+ZPE= 25.0 kJ/mol ZPE= 0.1111653 CONNECTIONS: o EQ44 o EQ57
[ TS145 ] Animation
C1 ENERGY= 33.7 kJ/mol Energy+ZPE= 20.5 kJ/mol ZPE= 0.1114615 CONNECTIONS: o EQ46 o EQ47
[ TS146 ] Animation
C1 ENERGY= 34.7 kJ/mol Energy+ZPE= 19.8 kJ/mol ZPE= 0.1108341 CONNECTIONS: o EQ46 o EQ48
[ TS147 ] Animation
C1 ENERGY= 39.0 kJ/mol Energy+ZPE= 25.1 kJ/mol ZPE= 0.1111803 CONNECTIONS: o EQ49 o EQ57
[ TS148 ] Animation
C1 ENERGY= 29.6 kJ/mol Energy+ZPE= 18.7 kJ/mol ZPE= 0.1123247 CONNECTIONS: o xx o EQ3
[ TS149 ] Animation
C1 ENERGY= 34.2 kJ/mol Energy+ZPE= 20.6 kJ/mol ZPE= 0.1113253 CONNECTIONS: o xx o EQ25
[ TS150 ] Animation
C1 ENERGY= 36.9 kJ/mol Energy+ZPE= 22.1 kJ/mol ZPE= 0.1108656 CONNECTIONS: o xx o EQ54
[ TS151 ] Animation
C1 ENERGY= 39.2 kJ/mol Energy+ZPE= 24.6 kJ/mol ZPE= 0.1109407 CONNECTIONS: o xx o EQ58
xx: This is an exceptional case, which could not be assigned during the GRRM procedures. It is possibly due to a very shallow well of numerical thresholds, a minimum with negative Hessians, or artifacts associated with the computation.
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